Cas no 197144-27-7 (Carbamic acid, bis(4-bromophenyl)-, 1,1-dimethylethyl ester)
197144-27-7 structure
Product Name:Carbamic acid, bis(4-bromophenyl)-, 1,1-dimethylethyl ester
CAS No:197144-27-7
MF:C17H17Br2NO2
MW:427.130383253098
CID:4459706
PubChem ID:21996836
Update Time:2025-04-24
Carbamic acid, bis(4-bromophenyl)-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
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- Carbamic acid, bis(4-bromophenyl)-, 1,1-dimethylethyl ester
- Carbamic acid, N,N-bis(4-bromophenyl)-, 1,1-dimethylethyl ester
- tert-butyl bis(4-bromophenyl)carbamate
- 197144-27-7
- SCHEMBL922803
-
- Inchi： 1S/C17H17Br2NO2/c1-17(2,3)22-16(21)20(14-8-4-12(18)5-9-14)15-10-6-13(19)7-11-15/h4-11H,1-3H3
- InChI Key： ONMNMCWWXJYYGI-UHFFFAOYSA-N
- SMILES： C(OC(C)(C)C)(=O)N(C1=CC=C(Br)C=C1)C1=CC=C(Br)C=C1
Computed Properties
- Exact Mass: 426.96055Da
- Monoisotopic Mass: 424.96260Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 345
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.6
- Topological Polar Surface Area: 29.5?2
Carbamic acid, bis(4-bromophenyl)-, 1,1-dimethylethyl ester Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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